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PDBsum entry 2ah3
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Signaling protein
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PDB id
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2ah3
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References listed in PDB file
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Key reference
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Title
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Model of the whole rat at1 receptor and the ligand-Binding site.
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Authors
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C.Baleanu-Gogonea,
S.Karnik.
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Ref.
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J Mol Model, 2006,
12,
325-337.
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PubMed id
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Abstract
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We present a three-dimensional model of the rat type 1 receptor (AT1) for the
hormone angiotensin II (Ang II). Ang II and the AT1 receptor play a critical
role in the cell-signaling process responsible for the actions of
renin-angiotensin system in the regulation of blood pressure, water-electrolyte
homeostasis and cell growth. Development of improved therapeutics would be
significantly enhanced with the availability of a 3D-structure model for the AT1
receptor and of the binding site for agonists and antagonists. This model was
constructed using a combination of computation and homology-modeling techniques
starting with the experimentally determined three-dimensional structure of
bovine rhodopsin (PDB#1F88) as a template. All 359 residues and two disulfide
bonds in the rat AT1 receptor have been accounted for in this model.
Ramachandran-map analysis and a 1 nanosecond molecular dynamics simulation of
the solvated receptor with and without the bound ligand, Ang II, lend credence
to the validity of the model. Docking calculations were performed with the
agonist, Ang II and the antihypertensive antagonist, losartan. [Figure: see
text].
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Secondary reference #1
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Title
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Crystal structure of rhodopsin: a g protein-Coupled receptor.
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Authors
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K.Palczewski,
T.Kumasaka,
T.Hori,
C.A.Behnke,
H.Motoshima,
B.A.Fox,
I.Le trong,
D.C.Teller,
T.Okada,
R.E.Stenkamp,
M.Yamamoto,
M.Miyano.
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Ref.
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Science, 2000,
289,
739-745.
[DOI no: ]
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PubMed id
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Figure 2.
Fig. 2. Ribbon drawings of rhodopsin. (A) Parallel to the plane
of the membrane (stereoview). A view into the membrane plane is
seen from the cytoplasmic (B) and intradiscal side (C) of the
membrane.
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Figure 5.
Fig. 5. Structural details for four regions in rhodopsin. (A)
The E-II loop near the disulfide bridge connecting Cys110 and
Cys187, viewed from extracellular side. (B) The C-IV cytoplasmic
loop from Lys311 to Leu321 forming a short amphiphillic helix
(H-VIII). (C) Interhelical hydrogen bonds mediated by a highly
conserved Asn55, connecting H-I, H-II, and H-VII, and by Asn78
for H-II, H-III, and H-IV. (D) The tripeptide region,
Glu134-Arg135-Tyr136, known as a (D/E)R(Y/W) motif located near
the cytoplasmic end of H-III.
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The above figures are
reproduced from the cited reference
with permission from the AAAs
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